3-bromo-1-(2-chloro-4-nitrophenyl)pyridin-2-one

C11H6BrClN2O3 — CID 59536598

IUPAC3-bromo-1-(2-chloro-4-nitrophenyl)pyridin-2-one
SMILESO=c1c(Br)cccn1-c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C11H6BrClN2O3/c12-8-2-1-5-14(11(8)16)10-4-3-7(15(17)18)6-9(10)13/h1-6H
InChIKeyCXSCDHIFRCCWCT-UHFFFAOYSA-N
MW329.54 g/mol
LogP3.16
Rot. Bonds2

About 3-bromo-1-(2-chloro-4-nitrophenyl)pyridin-2-one

3-bromo-1-(2-chloro-4-nitrophenyl)pyridin-2-one (PubChem CID 59536598) has the molecular formula C11H6BrClN2O3 and a molecular weight of 329.54 g/mol. Its IUPAC name is 3-bromo-1-(2-chloro-4-nitrophenyl)pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-(2-chloro-4-nitrophenyl)pyridin-2-one
PubChem CID59536598
Molecular FormulaC11H6BrClN2O3
Molecular Weight329.54 g/mol
Exact Mass327.93
IUPAC Name3-bromo-1-(2-chloro-4-nitrophenyl)pyridin-2-one
SMILESO=c1c(Br)cccn1-c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C11H6BrClN2O3/c12-8-2-1-5-14(11(8)16)10-4-3-7(15(17)18)6-9(10)13/h1-6H
InChIKeyCXSCDHIFRCCWCT-UHFFFAOYSA-N
XLogP3.16
TPSA65.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.54
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-1-(2-methoxy-4-nitrophenyl)pyridin-2-one
CID 59410145
1,4-bis(2-chloro-4-nitrophenyl)piperazine
CID 3829099
1-(2-chloro-4-nitrophenyl)pyrrole-2,5-dione
CID 4120945
(2-bromophenyl)-[4-(2-chloro-4-nitrophenyl)-2,6-dimethylpiperazin-1-yl]methanone
CID 2919949
3-(2-chloro-4-nitrophenyl)furo[3,4-d]triazole-4,6-dione
CID 82369524
1-(2-chloro-4-nitrophenyl)benzotriazole
CID 9212209
1-[(2-bromophenyl)methoxy]-2-chloro-4-nitrobenzene
CID 54129190
1-(2-chloro-4-nitrophenyl)-4-phenylpiperidine
CID 13176085
4-(2-chloro-4-nitrophenyl)morpholin-3-one
CID 69051891
(3-bromophenyl)-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]methanone
CID 2888815
1-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]ethanone
CID 2887588
1-[(2-chloro-4-nitrophenyl)methyl]pyrrole
CID 63811596

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(2-chloro-4-nitrophenyl)pyridin-2-one?
The IUPAC name of 3-bromo-1-(2-chloro-4-nitrophenyl)pyridin-2-one (CID 59536598) is 3-bromo-1-(2-chloro-4-nitrophenyl)pyridin-2-one.
What is the SMILES notation for 3-bromo-1-(2-chloro-4-nitrophenyl)pyridin-2-one?
The canonical SMILES for 3-bromo-1-(2-chloro-4-nitrophenyl)pyridin-2-one is O=c1c(Br)cccn1-c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 3-bromo-1-(2-chloro-4-nitrophenyl)pyridin-2-one?
The InChIKey is CXSCDHIFRCCWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClN2O3/c12-8-2-1-5-14(11(8)16)10-4-3-7(15(17)18)6-9(10)13/h1-6H.
What are the key properties of 3-bromo-1-(2-chloro-4-nitrophenyl)pyridin-2-one?
3-bromo-1-(2-chloro-4-nitrophenyl)pyridin-2-one has a molecular weight of 329.54 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(2-chloro-4-nitrophenyl)pyridin-2-one is sourced from PubChem (CID 59536598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).